3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C13H15N3 — CID 112710554

IUPAC3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCn1nc2c(c1Cc1ccccc1)CNC2
InChIInChI=1S/C13H15N3/c1-16-13(7-10-5-3-2-4-6-10)11-8-14-9-12(11)15-16/h2-6,14H,7-9H2,1H3
InChIKeyJDRVZGDMDUNLAJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.61
Rot. Bonds2

About 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 112710554) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID112710554
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCn1nc2c(c1Cc1ccccc1)CNC2
InChIInChI=1S/C13H15N3/c1-16-13(7-10-5-3-2-4-6-10)11-8-14-9-12(11)15-16/h2-6,14H,7-9H2,1H3
InChIKeyJDRVZGDMDUNLAJ-UHFFFAOYSA-N
XLogP1.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
3-benzyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 112710449
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
5-benzyl-1,4-dimethylpyrazole
CID 126758584
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18187656
N-(2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)isoquinolin-3-amine
CID 130431002
2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine
CID 83870636
8-benzyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
CID 68557749
2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 91654293
5-benzyl-1-methyltriazole-4-carbaldehyde
CID 82207724
2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
3-benzyl-1,5-dimethylpyrazole
CID 13225476

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 112710554) is 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Cn1nc2c(c1Cc1ccccc1)CNC2.
What is the InChIKey of 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is JDRVZGDMDUNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-13(7-10-5-3-2-4-6-10)11-8-14-9-12(11)15-16/h2-6,14H,7-9H2,1H3.
What are the key properties of 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 213.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 112710554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).